CID 4615191

2-ethoxy-5-methylphenylboronic acid

Structural Information

Molecular Formula
C9H13BO3
SMILES
B(C1=C(C=CC(=C1)C)OCC)(O)O
InChI
InChI=1S/C9H13BO3/c1-3-13-9-5-4-7(2)6-8(9)10(11)12/h4-6,11-12H,3H2,1-2H3
InChIKey
KBGGTPGSWHNQEX-UHFFFAOYSA-N
Compound name
(2-ethoxy-5-methylphenyl)boronic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

93
Patents

180.09578 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 181.10306 137.3
[M+Na]+ 203.08500 149.0
[M+NH4]+ 198.12960 144.8
[M+K]+ 219.05894 144.2
[M-H]- 179.08850 138.0
[M+Na-2H]- 201.07045 142.5
[M]+ 180.09523 139.0
[M]- 180.09633 139.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe